BDBM50196001 3-benzyl-N-methyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine::CHEMBL227944

SMILES: CNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1

InChI Key: InChIKey=GOVRIYFDHDFJPD-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50196001   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine A1 receptor (BOVINE)	BDBM50196001 (3-benzyl-N-methyl-5-phenyl-3H-[1,2,3]triazolo[4,5-...) Show SMILES CNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 Show InChI InChI=1S/C18H16N6/c1-19-17-15-18(21-16(20-17)14-10-6-3-7-11-14)24(23-22-15)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	353	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from bovine cerbral cortex adenosine A1 receptor				Eur J Med Chem 42: 1-9 (2007) Article DOI: 10.1016/j.ejmech.2006.08.014 BindingDB Entry DOI: 10.7270/Q28C9VW9
					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM50196001 (3-benzyl-N-methyl-5-phenyl-3H-[1,2,3]triazolo[4,5-...) Show SMILES CNc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1 Show InChI InChI=1S/C18H16N6/c1-19-17-15-18(21-16(20-17)14-10-6-3-7-11-14)24(23-22-15)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.53E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Binding affinity to bovine adenosine A1 receptor				Eur J Med Chem 43: 114-21 (2008) Article DOI: 10.1016/j.ejmech.2007.02.009 BindingDB Entry DOI: 10.7270/Q2WW7JWK
					More data for this Ligand-Target Pair